2-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-[(4-isopropylphenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-[[(4-propan-2-ylphenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-[(p-cumenylthio)methyl]-3-furoic acid Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC2=C(C=CO2)C(=O)O

InChI

InChI=1S/C15H16O3S/c1-10(2)11-3-5-12(6-4-11)19-9-14-13(15(16)17)7-8-18-14/h3-8,10H,9H2,1-2H3,(H,16,17)